[email protected]
CAS 13139-14-5 N-(tert-Butoxycarbonyl)-L-tryptophan molecular structure lightbox
CAS RN: 13139-14-5

N-(tert-Butoxycarbonyl)-L-tryptophan

  • Product code: SSC-038229
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10g, 5g, 25g, 100g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 13139-14-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g -- 5 In Stock Hong Kong Inquiry
10g ≥98% 5 In Stock Hong Kong Inquiry
5g -- 2 In Stock Beijing Inquiry
5g ≥98% 2 In Stock Shanghai Inquiry
25g -- 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry
100g -- 0 Out of Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry
1000g -- 0 Out of Stock Beijing Inquiry

13139-14-5 / (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 13139-14-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13139-14-5
Multi CAS
No
Molecular Formula
C16H20N2O4
Molecular Weight
304.340000
Exact Mass
304.142307
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-13(14(19)20)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,9,13,17H,8H2,1-3H3,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKey
NFVNYBJCJGKVQK-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
82.8
TPSA
91.42

LogP / Solubility

WLOGP
2.69
MLOGP
2.38
XLogP3
2
Consensus LogP
2.36
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us